SCHEMBL4658762

SCHEMBL4658762

O=Cc1ncccc1-c1ccnc(C=O)c1-c1cccnc1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 3/20 0.36
CDC25B P30305 3/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
KMT2A Q03164 3/20 0.35
TDP2 O95551 2/20 0.35
NSD2 O96028 2/20 0.35
PAX8 Q06710 2/20 0.35
MEN1 O00255 2/20 0.35
ABL1 P00519 1/20 0.35
PLCG1 P19174 1/20 0.35
CES1 P23141 1/20 0.35
RIN1 Q13671 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.33
PTPRC P08575 2/20 0.32
CTSL P07711 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8512088 0.86 S100A4 (0.45) S100A4CDC25BTRIM24TRIM33KMT2A
SCHEMBL890949 0.84 S100A4 (0.43) S100A4CDC25BTRIM24TRIM33KMT2A
SCHEMBL3340081 0.76 NOS3 (0.42) S100A4CDC25BTRIM24TRIM33KMT2A
SCHEMBL28335128 0.76 TRIM24 (0.43) S100A4CDC25BTRIM24TRIM33KMT2A
SCHEMBL20578689 0.76 S100A4 (0.41) S100A4CDC25BTRIM24TRIM33KMT2A
SCHEMBL28337559 0.74 TRIM24 (0.44) S100A4CDC25BTRIM24TRIM33KMT2A
SCHEMBL3341430 0.74 ALDH1A1 (0.41) S100A4CDC25BTRIM24TRIM33KMT2A
SCHEMBL4035576 0.74 ALDH1A1 (0.41) S100A4CDC25BTRIM24TRIM33KMT2A
SCHEMBL10768091 0.74 NFE2L2 (0.46) S100A4CDC25BGAAALDH1A1PTPRC
SCHEMBL4129850 0.74 ALDH1A1 (0.48) S100A4CDC25BTRIM24TRIM33KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115109062-A Terpyridine organic molecular cage and synthesis method thereof 中南大学 2022-09-27 CN disclosed
EP-1999228-A2 PHOSPHORESCENT LIGHT-EMITTING MATERIALS AND METHODS OF PREPARING GENERAL ELECTRIC COMPANY (US) 2008-12-10 EP disclosed
US-20080061686-A1 PHOSPHORESCENT LIGHT-EMITTING MATERIALS AND METHODS OF PREPARING GENERAL ELECTRIC COMPANY 2008-03-13 US disclosed
WO-2007109657-A2 PHOSPHORESCENT LIGHT-EMITTING MATERIALS AND METHODS OF PREPARING GENERAL ELECTRIC COMPANY (US) 2007-09-27 WO disclosed